REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1op4_1_A DATA FIRST_RESID 24 DATA SEQUENCE EASGEIALcK TGFPEDVYSA VLPKDVHEGQ PLLNVKFSNc NRKRKVQYES DATA SEQUENCE SEPADFKVDE DGTVYAVRSF PLTAEQAKFL IYAQDKETQE KWQVAVNLSR DATA SEQUENCE EPTLTEEPMK EPHEIEEIVF PRQLAKHSGA LQRQKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 24 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 24 E C 0.000 176.599 176.600 -0.002 0.000 1.382 24 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 24 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 25 A N -0.871 121.947 122.820 -0.002 0.000 2.701 25 A HA 0.432 4.751 4.320 -0.002 0.000 0.197 25 A C -0.665 176.918 177.584 -0.002 0.000 1.464 25 A CA 0.145 52.181 52.037 -0.002 0.000 1.393 25 A CB 0.309 19.308 19.000 -0.002 0.000 1.108 25 A HN 0.057 8.205 8.150 -0.002 0.000 0.570 26 S N -0.508 115.190 115.700 -0.002 0.000 2.930 26 S HA 0.083 4.552 4.470 -0.003 0.000 0.253 26 S C 0.781 175.380 174.600 -0.002 0.000 1.083 26 S CA 0.614 58.812 58.200 -0.002 0.000 0.836 26 S CB 0.958 64.156 63.200 -0.003 0.000 0.814 26 S HN 0.133 8.441 8.310 -0.002 0.000 0.467 27 G N 2.921 111.720 108.800 -0.002 0.000 3.450 27 G HA2 -0.106 3.852 3.960 -0.002 0.000 0.668 27 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.668 27 G C -1.384 173.515 174.900 -0.002 0.000 0.941 27 G CA -0.159 44.940 45.100 -0.002 0.000 0.766 27 G HN -0.372 7.917 8.290 -0.002 0.000 0.451 28 E N 2.854 123.053 120.200 -0.002 0.000 3.555 28 E HA 0.151 4.500 4.350 -0.002 0.000 0.187 28 E C -0.127 176.471 176.600 -0.002 0.000 1.267 28 E CA -0.180 56.219 56.400 -0.002 0.000 1.353 28 E CB 0.525 30.224 29.700 -0.002 0.000 2.031 28 E HN 0.027 8.386 8.360 -0.002 0.000 0.522 29 I N -2.872 117.696 120.570 -0.003 0.000 3.264 29 I HA 0.444 4.613 4.170 -0.002 0.000 0.315 29 I C -1.559 174.555 176.117 -0.005 0.000 1.154 29 I CA -1.173 60.126 61.300 -0.003 0.000 0.962 29 I CB 1.536 39.534 38.000 -0.003 0.000 1.265 29 I HN -0.343 7.865 8.210 -0.003 0.000 0.463 30 A N 0.091 122.908 122.820 -0.005 0.000 2.554 30 A HA 0.244 4.559 4.320 -0.008 0.000 0.266 30 A C -0.970 176.610 177.584 -0.008 0.000 0.938 30 A CA -0.169 51.864 52.037 -0.007 0.000 1.045 30 A CB 0.565 19.562 19.000 -0.005 0.000 1.198 30 A HN 0.245 8.393 8.150 -0.004 0.000 0.528 31 L N 0.228 121.446 121.223 -0.008 0.000 2.357 31 L HA 0.186 4.522 4.340 -0.007 0.000 0.273 31 L C -0.290 176.569 176.870 -0.017 0.000 1.080 31 L CA -0.262 54.574 54.840 -0.008 0.000 0.803 31 L CB 1.606 43.664 42.059 -0.002 0.000 1.174 31 L HN -0.542 7.684 8.230 -0.007 0.000 0.443 32 c N 3.912 122.500 118.600 -0.021 0.000 2.601 32 c HA 0.045 4.585 4.570 -0.050 0.000 0.409 32 c C -0.110 173.952 174.090 -0.047 0.000 1.293 32 c CA 0.229 56.534 56.329 -0.041 0.000 2.101 32 c CB -0.147 42.340 42.510 -0.038 0.000 2.639 32 c HN 0.296 8.518 8.230 -0.014 0.000 0.592 33 K N 6.483 126.832 120.400 -0.085 0.000 2.530 33 K HA 0.251 4.549 4.320 -0.036 0.000 0.230 33 K C -1.213 175.246 176.600 -0.235 0.000 1.002 33 K CA -0.764 55.466 56.287 -0.095 0.000 1.014 33 K CB 1.231 33.685 32.500 -0.077 0.000 1.286 33 K HN 0.086 8.274 8.250 -0.104 0.000 0.480 34 T N 4.569 118.987 114.554 -0.227 0.000 2.834 34 T HA -0.089 4.004 4.350 -0.732 -0.182 0.298 34 T C -0.664 173.391 174.700 -1.075 0.000 0.966 34 T CA 1.075 62.844 62.100 -0.550 0.000 1.141 34 T CB 0.278 69.032 68.868 -0.190 0.000 0.905 34 T HN 0.105 8.299 8.240 -0.077 0.000 0.535 35 G N 4.325 111.987 108.800 -1.898 0.000 2.298 35 G HA2 -0.225 2.022 3.960 -2.855 0.000 0.309 35 G HA3 -0.225 1.690 3.960 -3.408 0.000 0.309 35 G C -2.543 171.617 174.900 -1.234 0.000 1.279 35 G CA -0.551 43.022 45.100 -2.546 0.000 1.042 35 G HN -0.538 6.560 8.290 -1.986 0.000 0.480 36 F N -1.367 118.363 119.950 -0.367 0.000 2.370 36 F HA 0.389 4.880 4.527 -0.060 0.000 0.319 36 F C 0.173 175.927 175.800 -0.078 0.000 1.129 36 F CA -2.983 54.969 58.000 -0.079 0.000 1.109 36 F CB -0.320 38.725 39.000 0.075 0.000 1.262 36 F HN -0.096 7.682 8.300 -0.869 0.000 0.534 37 P HA 0.053 4.488 4.420 0.025 0.000 0.244 37 P C -1.363 175.958 177.300 0.036 0.000 1.632 37 P CA -0.796 62.334 63.100 0.050 0.000 0.944 37 P CB -0.139 31.581 31.700 0.034 0.000 1.569 38 E N -2.175 118.073 120.200 0.081 0.000 2.360 38 E HA -0.332 4.059 4.350 0.069 0.000 0.238 38 E C -1.607 174.966 176.600 -0.045 0.000 1.186 38 E CA 1.404 57.827 56.400 0.039 0.000 0.719 38 E CB -0.598 29.126 29.700 0.040 0.000 1.236 38 E HN -0.146 8.208 8.360 0.166 0.106 0.386 39 D N -2.447 117.879 120.400 -0.124 0.000 2.898 39 D HA 0.214 4.764 4.640 -0.150 0.000 0.266 39 D C -1.569 174.516 176.300 -0.358 0.000 1.173 39 D CA -0.550 53.321 54.000 -0.215 0.000 1.078 39 D CB 1.600 42.261 40.800 -0.231 0.000 1.326 39 D HN -0.217 8.076 8.370 -0.122 0.005 0.622 40 V N -4.376 115.279 119.914 -0.431 0.000 3.049 40 V HA 0.343 4.215 4.120 -0.520 -0.063 0.309 40 V C -2.542 173.248 176.094 -0.506 0.000 1.148 40 V CA -1.965 60.060 62.300 -0.458 0.000 0.990 40 V CB 2.967 34.646 31.823 -0.240 0.000 1.039 40 V HN -0.085 7.890 8.190 -0.359 0.000 0.430 41 Y N 1.319 121.554 120.300 -0.109 0.000 2.528 41 Y HA 0.275 4.809 4.550 -0.026 0.000 0.335 41 Y C -0.946 174.938 175.900 -0.028 0.000 1.093 41 Y CA -1.797 56.271 58.100 -0.053 0.000 1.134 41 Y CB 3.009 41.435 38.460 -0.057 0.000 1.253 41 Y HN 0.081 8.218 8.280 -0.237 0.000 0.478 42 S N 0.666 116.488 115.700 0.203 0.000 2.605 42 S HA 0.539 5.257 4.470 0.121 -0.176 0.308 42 S C -1.823 172.860 174.600 0.138 0.000 1.113 42 S CA -1.251 57.029 58.200 0.132 0.000 1.049 42 S CB 1.603 64.854 63.200 0.086 0.000 1.001 42 S HN 0.248 8.706 8.310 0.246 0.000 0.480 43 A N 5.856 128.772 122.820 0.160 0.000 2.317 43 A HA 0.502 4.892 4.320 0.117 0.000 0.327 43 A C -1.594 176.063 177.584 0.122 0.000 1.178 43 A CA -1.970 50.156 52.037 0.148 0.000 0.817 43 A CB 2.847 21.977 19.000 0.218 0.000 1.189 43 A HN 0.224 8.483 8.150 0.181 0.000 0.489 44 V N 2.770 122.737 119.914 0.088 0.000 2.509 44 V HA 0.203 4.608 4.120 0.072 -0.242 0.284 44 V C -0.213 175.923 176.094 0.070 0.000 1.047 44 V CA -0.133 62.210 62.300 0.071 0.000 0.952 44 V CB 1.003 32.858 31.823 0.054 0.000 0.988 44 V HN 0.526 8.763 8.190 0.077 0.000 0.469 45 L N 6.030 127.294 121.223 0.067 0.000 2.371 45 L HA 0.609 4.988 4.340 0.065 0.000 0.262 45 L C -1.398 175.505 176.870 0.054 0.000 1.006 45 L CA -3.608 51.271 54.840 0.066 0.000 0.818 45 L CB 3.234 45.341 42.059 0.079 0.000 1.354 45 L HN -0.017 8.250 8.230 0.062 0.000 0.415 46 P HA -0.072 4.390 4.420 0.070 0.000 0.225 46 P C -0.642 176.652 177.300 -0.009 0.000 1.148 46 P CA 0.626 63.769 63.100 0.072 0.000 0.779 46 P CB 0.214 32.046 31.700 0.220 0.000 0.780 47 K N -5.489 114.896 120.400 -0.024 0.000 3.020 47 K HA -0.418 3.986 4.320 -0.044 -0.111 0.266 47 K C -1.916 174.606 176.600 -0.130 0.000 1.067 47 K CA 1.268 57.521 56.287 -0.057 0.000 0.780 47 K CB -1.343 31.138 32.500 -0.032 0.000 1.220 47 K HN 0.169 8.369 8.250 0.008 0.055 0.483 48 D N -2.706 117.525 120.400 -0.282 0.000 2.696 48 D HA 0.105 4.597 4.640 -0.247 0.000 0.269 48 D C -0.281 175.669 176.300 -0.583 0.000 1.319 48 D CA -1.422 52.300 54.000 -0.465 0.000 0.826 48 D CB -0.173 40.234 40.800 -0.655 0.000 1.086 48 D HN -0.086 8.076 8.370 -0.291 0.034 0.481 49 V N -3.371 116.390 119.914 -0.254 0.000 5.306 49 V HA -0.443 3.880 4.120 0.086 -0.152 0.296 49 V C -1.784 174.314 176.094 0.007 0.000 0.463 49 V CA 0.691 62.964 62.300 -0.045 0.000 0.715 49 V CB -2.918 28.913 31.823 0.012 0.000 0.548 49 V HN -0.537 7.494 8.190 -0.161 0.063 1.307 50 H N 0.446 119.546 119.070 0.051 0.000 2.552 50 H HA 0.126 4.694 4.556 0.020 0.000 0.311 50 H C -0.583 174.755 175.328 0.016 0.000 1.071 50 H CA -0.877 55.186 56.048 0.025 0.000 1.307 50 H CB 0.101 29.871 29.762 0.014 0.000 1.416 50 H HN -0.627 7.577 8.280 -0.106 0.012 0.464 51 E N 3.109 123.388 120.200 0.131 0.000 2.869 51 E HA 0.033 4.494 4.350 0.050 -0.081 0.258 51 E C 0.216 176.824 176.600 0.013 0.000 1.354 51 E CA -0.563 55.869 56.400 0.053 0.000 1.065 51 E CB 1.094 30.814 29.700 0.033 0.000 1.215 51 E HN 0.216 8.658 8.360 0.136 0.000 0.659 52 G N -1.616 107.170 108.800 -0.024 0.000 2.356 52 G HA2 -0.303 3.619 3.960 -0.064 0.000 0.296 52 G HA3 -0.303 3.630 3.960 -0.045 0.000 0.296 52 G C -0.782 174.075 174.900 -0.071 0.000 1.022 52 G CA 0.562 45.630 45.100 -0.052 0.000 0.961 52 G HN 0.228 8.503 8.290 -0.025 0.000 0.510 53 Q N -0.459 119.291 119.800 -0.084 0.000 2.443 53 Q HA 0.094 4.410 4.340 -0.040 0.000 0.232 53 Q C -1.077 174.837 176.000 -0.144 0.000 1.026 53 Q CA -1.557 54.196 55.803 -0.084 0.000 0.924 53 Q CB -0.507 28.184 28.738 -0.078 0.000 1.256 53 Q HN -0.153 8.059 8.270 -0.088 0.006 0.519 54 P HA -0.092 4.229 4.420 -0.166 0.000 0.273 54 P C -1.543 175.629 177.300 -0.213 0.000 1.252 54 P CA 0.264 63.276 63.100 -0.146 0.000 0.809 54 P CB 0.551 32.205 31.700 -0.077 0.000 1.017 55 L N -3.214 117.852 121.223 -0.261 0.000 2.313 55 L HA 0.103 4.380 4.340 -0.250 -0.087 0.283 55 L C -0.707 176.117 176.870 -0.077 0.000 1.013 55 L CA -1.182 53.475 54.840 -0.306 0.000 0.816 55 L CB 1.134 42.711 42.059 -0.803 0.000 1.236 55 L HN -0.171 7.918 8.230 -0.236 0.000 0.419 56 L N 2.638 123.906 121.223 0.075 0.000 2.379 56 L HA 0.206 4.576 4.340 0.051 0.000 0.269 56 L C -2.051 174.870 176.870 0.085 0.000 1.084 56 L CA -0.539 54.364 54.840 0.105 0.000 0.802 56 L CB 3.300 45.500 42.059 0.235 0.000 1.175 56 L HN 0.471 8.783 8.230 0.137 0.000 0.448 57 N N 1.687 120.376 118.700 -0.018 0.000 2.399 57 N HA 0.133 4.980 4.740 0.005 -0.104 0.284 57 N C -0.766 174.601 175.510 -0.239 0.000 1.025 57 N CA -1.339 51.674 53.050 -0.062 0.000 0.885 57 N CB 1.911 40.364 38.487 -0.057 0.000 1.339 57 N HN -0.107 8.239 8.380 -0.056 0.000 0.487 58 V N 1.589 121.400 119.914 -0.172 0.000 2.785 58 V HA 0.254 3.780 4.120 -0.991 0.000 0.300 58 V C -0.122 175.934 176.094 -0.062 0.000 1.062 58 V CA -1.849 60.284 62.300 -0.278 0.000 1.029 58 V CB 1.170 33.028 31.823 0.059 0.000 1.024 58 V HN 0.706 8.867 8.190 -0.048 0.000 0.477 59 K N 3.603 124.020 120.400 0.028 0.000 2.758 59 K HA 0.065 4.425 4.320 0.066 0.000 0.250 59 K C -0.900 175.891 176.600 0.318 0.000 1.268 59 K CA -1.409 54.976 56.287 0.163 0.000 1.228 59 K CB -1.861 30.747 32.500 0.181 0.000 1.715 59 K HN 0.285 8.535 8.250 0.001 0.000 0.334 60 F N 2.876 122.973 119.950 0.245 0.000 2.590 60 F HA -0.279 4.318 4.527 0.117 0.000 0.389 60 F C -0.494 175.258 175.800 -0.080 0.000 1.049 60 F CA 0.413 58.472 58.000 0.099 0.000 1.199 60 F CB 0.370 39.427 39.000 0.096 0.000 1.058 60 F HN -0.691 7.859 8.300 0.513 0.058 0.556 61 S N 7.804 122.987 115.700 -0.863 0.000 2.516 61 S HA -0.103 4.146 4.470 -0.368 0.000 0.282 61 S C -0.878 173.152 174.600 -0.949 0.000 1.286 61 S CA 1.440 59.225 58.200 -0.691 0.000 1.066 61 S CB 0.668 63.534 63.200 -0.556 0.000 0.884 61 S HN 0.590 8.281 8.310 -0.852 0.107 0.491 62 N N 4.699 123.139 118.700 -0.434 0.000 2.472 62 N HA 0.155 4.740 4.740 -0.259 0.000 0.289 62 N C -0.981 174.433 175.510 -0.160 0.000 1.156 62 N CA 0.115 53.027 53.050 -0.230 0.000 0.940 62 N CB 2.701 41.177 38.487 -0.018 0.000 1.200 62 N HN 0.104 8.322 8.380 -0.271 0.000 0.511 63 c N -0.623 117.932 118.600 -0.075 0.000 3.233 63 c HA 0.007 4.553 4.570 -0.040 0.000 0.358 63 c C -1.923 172.170 174.090 0.004 0.000 1.461 63 c CA -1.003 55.299 56.329 -0.045 0.000 1.180 63 c CB 2.120 44.585 42.510 -0.076 0.000 1.604 63 c HN 0.257 8.476 8.230 -0.019 0.000 0.437 64 N N -0.137 118.568 118.700 0.009 0.000 1.202 64 N HA -0.340 4.413 4.740 0.020 0.000 0.108 64 N C -1.834 173.695 175.510 0.031 0.000 0.816 64 N CA 1.822 54.887 53.050 0.025 0.000 0.848 64 N CB 0.134 38.646 38.487 0.042 0.000 0.972 64 N HN 0.314 8.693 8.380 -0.002 0.000 0.645 65 R N -0.086 120.437 120.500 0.040 0.000 2.515 65 R HA 0.173 4.536 4.340 0.038 0.000 0.291 65 R C -1.561 174.768 176.300 0.048 0.000 1.046 65 R CA -0.503 55.621 56.100 0.039 0.000 0.914 65 R CB 1.343 31.660 30.300 0.029 0.000 1.191 65 R HN 0.156 8.453 8.270 0.044 0.000 0.435 66 K N 1.165 121.598 120.400 0.054 0.000 6.958 66 K HA -0.196 4.159 4.320 0.058 0.000 0.740 66 K C -0.980 175.663 176.600 0.072 0.000 2.386 66 K CA 1.019 57.340 56.287 0.057 0.000 1.731 66 K CB 0.320 32.846 32.500 0.043 0.000 1.907 66 K HN 0.349 8.631 8.250 0.053 0.000 0.304 67 R N 1.636 122.188 120.500 0.087 0.000 2.924 67 R HA 0.096 4.491 4.340 0.092 0.000 0.233 67 R C -1.983 174.369 176.300 0.087 0.000 1.685 67 R CA -0.900 55.264 56.100 0.107 0.000 1.462 67 R CB 0.653 31.053 30.300 0.166 0.000 1.542 67 R HN 0.066 8.386 8.270 0.084 0.000 0.667 68 K N 3.560 123.996 120.400 0.060 0.000 2.382 68 K HA -0.097 4.252 4.320 0.049 0.000 0.286 68 K C -1.093 175.522 176.600 0.025 0.000 1.062 68 K CA 0.181 56.495 56.287 0.045 0.000 1.000 68 K CB 0.347 32.872 32.500 0.041 0.000 0.954 68 K HN 0.113 8.397 8.250 0.056 0.000 0.470 69 V N 2.198 122.103 119.914 -0.015 0.000 3.093 69 V HA 0.540 4.704 4.120 -0.051 -0.075 0.320 69 V C -0.997 174.992 176.094 -0.174 0.000 1.093 69 V CA -3.140 59.096 62.300 -0.107 0.000 1.016 69 V CB 2.707 34.422 31.823 -0.179 0.000 1.096 69 V HN -0.181 8.005 8.190 -0.005 0.000 0.452 70 Q N 0.069 119.747 119.800 -0.203 0.000 2.235 70 Q HA 0.252 4.595 4.340 0.005 0.000 0.250 70 Q C -0.978 174.862 176.000 -0.266 0.000 0.909 70 Q CA -0.783 54.949 55.803 -0.118 0.000 0.910 70 Q CB 2.273 30.980 28.738 -0.053 0.000 1.223 70 Q HN 0.225 8.288 8.270 -0.177 0.101 0.432 71 Y N 0.081 120.436 120.300 0.091 0.000 2.562 71 Y HA 0.863 5.784 4.550 0.205 -0.248 0.343 71 Y C 0.181 176.178 175.900 0.161 0.000 1.025 71 Y CA -1.514 56.675 58.100 0.149 0.000 1.082 71 Y CB 3.904 42.433 38.460 0.115 0.000 1.264 71 Y HN 0.145 8.568 8.280 0.238 0.000 0.478 72 E N -0.037 120.409 120.200 0.410 0.000 2.352 72 E HA 0.410 4.912 4.350 0.254 0.000 0.280 72 E C -1.722 175.119 176.600 0.403 0.000 0.930 72 E CA -0.594 56.004 56.400 0.329 0.000 0.765 72 E CB 4.550 34.405 29.700 0.259 0.000 1.219 72 E HN 0.110 8.773 8.360 0.505 0.000 0.434 73 S N 2.439 118.338 115.700 0.330 0.000 2.739 73 S HA 0.315 5.064 4.470 0.464 0.000 0.306 73 S C -0.288 174.503 174.600 0.319 0.000 1.115 73 S CA -0.554 57.870 58.200 0.373 0.000 0.985 73 S CB 1.161 64.549 63.200 0.314 0.000 1.133 73 S HN 0.280 8.745 8.310 0.257 0.000 0.541 74 S N -1.593 114.300 115.700 0.321 0.000 2.865 74 S HA 0.002 4.564 4.470 0.154 0.000 0.240 74 S C -1.890 172.766 174.600 0.094 0.000 0.795 74 S CA -0.015 58.313 58.200 0.213 0.000 1.073 74 S CB 0.544 63.927 63.200 0.305 0.000 1.393 74 S HN 0.187 8.768 8.310 0.451 0.000 0.491 75 E N 1.206 121.291 120.200 -0.193 0.000 2.266 75 E HA 0.276 4.469 4.350 -0.262 0.000 0.277 75 E C -1.088 175.397 176.600 -0.191 0.000 1.018 75 E CA -2.748 53.355 56.400 -0.495 0.000 0.840 75 E CB 0.837 29.410 29.700 -1.878 0.000 1.082 75 E HN -0.360 7.862 8.360 -0.230 0.000 0.395 76 P HA -0.192 4.259 4.420 0.051 0.000 0.213 76 P C -0.714 176.645 177.300 0.098 0.000 1.170 76 P CA 1.313 64.435 63.100 0.036 0.000 0.902 76 P CB 0.362 32.099 31.700 0.061 0.000 0.789 77 A N -2.136 120.771 122.820 0.144 0.000 2.238 77 A HA -0.124 4.318 4.320 0.203 0.000 0.276 77 A C -0.532 177.207 177.584 0.258 0.000 1.464 77 A CA -0.105 52.074 52.037 0.236 0.000 0.835 77 A CB 0.563 19.767 19.000 0.340 0.000 1.277 77 A HN 0.032 8.561 8.150 0.095 -0.322 0.534 78 D N -0.235 120.304 120.400 0.231 0.000 2.233 78 D HA 0.199 4.945 4.640 0.176 0.000 0.240 78 D C -1.980 174.411 176.300 0.151 0.000 1.074 78 D CA 0.284 54.385 54.000 0.169 0.000 0.838 78 D CB 1.865 42.694 40.800 0.049 0.000 1.124 78 D HN -0.335 8.133 8.370 0.163 0.000 0.475 79 F N 1.423 121.341 119.950 -0.053 0.000 2.576 79 F HA 0.603 5.347 4.527 -0.017 -0.227 0.313 79 F C -0.529 175.274 175.800 0.005 0.000 1.078 79 F CA -1.650 56.319 58.000 -0.051 0.000 0.921 79 F CB 4.950 43.829 39.000 -0.202 0.000 1.232 79 F HN 0.275 8.752 8.300 0.296 0.000 0.459 80 K N 2.765 123.232 120.400 0.112 0.000 2.535 80 K HA 0.393 4.733 4.320 0.033 0.000 0.253 80 K C -1.645 174.907 176.600 -0.080 0.000 0.953 80 K CA -0.842 55.435 56.287 -0.016 0.000 0.863 80 K CB 2.082 34.489 32.500 -0.155 0.000 1.111 80 K HN 0.044 8.420 8.250 0.092 -0.071 0.431 81 V N 2.227 122.149 119.914 0.013 0.000 2.408 81 V HA 0.121 4.360 4.120 -0.015 -0.128 0.267 81 V C -0.970 175.019 176.094 -0.175 0.000 1.047 81 V CA -0.903 61.384 62.300 -0.021 0.000 0.937 81 V CB 0.415 32.329 31.823 0.152 0.000 0.999 81 V HN 0.423 8.658 8.190 0.076 0.000 0.472 82 D N 7.918 128.132 120.400 -0.310 0.000 2.210 82 D HA 0.182 4.684 4.640 -0.230 0.000 0.249 82 D C 0.763 176.833 176.300 -0.383 0.000 1.078 82 D CA -0.562 53.257 54.000 -0.302 0.000 0.875 82 D CB 2.668 43.276 40.800 -0.319 0.000 1.175 82 D HN 0.425 8.489 8.370 -0.300 0.126 0.440 83 E N 3.493 123.570 120.200 -0.205 0.000 2.233 83 E HA -0.399 3.972 4.350 0.035 0.000 0.199 83 E C 0.758 177.228 176.600 -0.217 0.000 1.004 83 E CA 3.150 59.485 56.400 -0.108 0.000 0.819 83 E CB -0.461 29.274 29.700 0.058 0.000 0.738 83 E HN 0.565 8.864 8.360 -0.102 0.000 0.478 84 D N -3.251 117.038 120.400 -0.185 0.000 2.350 84 D HA -0.177 4.432 4.640 -0.053 0.000 0.216 84 D C 0.581 176.790 176.300 -0.152 0.000 0.968 84 D CA 0.822 54.756 54.000 -0.111 0.000 0.894 84 D CB 0.378 41.143 40.800 -0.057 0.000 0.909 84 D HN -0.052 8.174 8.370 -0.168 0.042 0.520 85 G N -1.599 106.983 108.800 -0.363 0.000 2.167 85 G HA2 -0.304 3.348 3.960 -0.513 0.000 0.194 85 G HA3 -0.304 3.637 3.960 -0.032 0.000 0.194 85 G C -2.044 172.783 174.900 -0.121 0.000 1.027 85 G CA -0.166 44.777 45.100 -0.261 0.000 0.717 85 G HN 0.366 8.133 8.290 -0.547 0.196 0.501 86 T N -1.682 112.787 114.554 -0.140 0.000 2.833 86 T HA 0.472 4.952 4.350 0.058 -0.096 0.297 86 T C -1.134 173.613 174.700 0.077 0.000 1.015 86 T CA -1.984 60.138 62.100 0.036 0.000 0.963 86 T CB 2.158 71.112 68.868 0.143 0.000 0.955 86 T HN -0.558 7.529 8.240 -0.256 0.000 0.449 87 V N 7.076 127.109 119.914 0.198 0.000 2.383 87 V HA 0.317 4.753 4.120 0.181 -0.208 0.275 87 V C -2.051 174.313 176.094 0.450 0.000 1.036 87 V CA -2.552 59.937 62.300 0.315 0.000 0.889 87 V CB 1.624 33.734 31.823 0.478 0.000 0.985 87 V HN 0.270 8.572 8.190 0.186 0.000 0.459 88 Y N 8.651 128.962 120.300 0.017 0.000 2.319 88 Y HA 0.155 4.632 4.550 -0.122 0.000 0.328 88 Y C -1.409 174.123 175.900 -0.613 0.000 1.133 88 Y CA -1.908 56.088 58.100 -0.173 0.000 1.265 88 Y CB 0.689 39.057 38.460 -0.153 0.000 1.218 88 Y HN 0.619 8.908 8.280 0.227 0.127 0.508 89 A N 3.394 125.876 122.820 -0.563 0.000 2.252 89 A HA 0.172 2.455 4.320 -3.394 0.000 0.309 89 A C -1.787 175.349 177.584 -0.746 0.000 1.285 89 A CA -0.811 50.470 52.037 -1.260 0.000 0.900 89 A CB 0.690 19.453 19.000 -0.394 0.000 1.157 89 A HN 0.299 8.271 8.150 -0.297 0.000 0.536 90 V N 2.750 122.178 119.914 -0.809 0.000 2.864 90 V HA 0.200 4.289 4.120 -0.212 -0.096 0.314 90 V C -0.757 175.267 176.094 -0.117 0.000 1.073 90 V CA -2.249 59.874 62.300 -0.294 0.000 0.956 90 V CB 3.908 35.611 31.823 -0.200 0.000 1.023 90 V HN 0.258 7.605 8.190 -1.406 0.000 0.435 91 R N 1.355 121.842 120.500 -0.023 0.000 1.113 91 R HA -0.333 4.043 4.340 0.061 0.000 0.421 91 R C -1.249 175.120 176.300 0.115 0.000 1.359 91 R CA 0.726 56.862 56.100 0.061 0.000 1.299 91 R CB 0.522 30.869 30.300 0.077 0.000 3.643 91 R HN 0.335 8.680 8.270 -0.033 -0.095 0.496 92 S N 4.091 119.877 115.700 0.142 0.000 2.835 92 S HA 0.121 4.669 4.470 0.130 0.000 0.194 92 S C -1.970 172.757 174.600 0.211 0.000 1.364 92 S CA -0.468 57.816 58.200 0.140 0.000 1.167 92 S CB -1.020 62.227 63.200 0.077 0.000 1.223 92 S HN 0.292 8.685 8.310 0.137 0.000 0.512 93 F N 4.005 123.978 119.950 0.038 0.000 2.561 93 F HA 0.432 4.966 4.527 0.012 0.000 0.313 93 F C -2.854 172.964 175.800 0.030 0.000 1.126 93 F CA -2.653 55.362 58.000 0.025 0.000 0.918 93 F CB 3.312 42.325 39.000 0.022 0.000 1.199 93 F HN -0.788 7.637 8.300 0.284 0.046 0.444 94 P HA -0.038 3.208 4.420 -1.957 0.000 0.211 94 P C -1.304 175.771 177.300 -0.374 0.000 1.191 94 P CA 0.684 63.284 63.100 -0.832 0.000 0.909 94 P CB 0.535 31.883 31.700 -0.587 0.000 0.770 95 L N -4.116 116.992 121.223 -0.192 0.000 3.721 95 L HA -0.363 3.941 4.340 -0.061 0.000 0.625 95 L C -0.693 176.111 176.870 -0.110 0.000 1.186 95 L CA 0.493 55.277 54.840 -0.093 0.000 0.961 95 L CB -1.699 40.343 42.059 -0.028 0.000 1.418 95 L HN 0.038 8.164 8.230 -0.173 0.000 0.838 96 T N -3.137 111.347 114.554 -0.116 0.000 3.539 96 T HA 0.112 4.417 4.350 -0.074 0.000 0.148 96 T C 0.089 174.745 174.700 -0.073 0.000 0.728 96 T CA 0.350 62.392 62.100 -0.096 0.000 0.843 96 T CB 0.427 69.217 68.868 -0.130 0.000 0.950 96 T HN -0.526 7.643 8.240 -0.117 0.000 0.266 97 A N 0.602 123.372 122.820 -0.082 0.000 2.067 97 A HA -0.043 4.251 4.320 -0.044 0.000 0.219 97 A C 0.506 178.061 177.584 -0.048 0.000 1.158 97 A CA 1.564 53.567 52.037 -0.057 0.000 0.661 97 A CB -0.275 18.690 19.000 -0.059 0.000 0.801 97 A HN 0.157 8.240 8.150 -0.111 0.000 0.452 98 E N -3.146 117.020 120.200 -0.057 0.000 2.390 98 E HA 0.271 4.603 4.350 -0.029 0.000 0.242 98 E C -2.080 174.499 176.600 -0.035 0.000 0.907 98 E CA -0.951 55.426 56.400 -0.040 0.000 0.884 98 E CB 2.206 31.882 29.700 -0.040 0.000 1.788 98 E HN -0.200 8.080 8.360 -0.078 0.034 0.427 99 Q N -1.828 117.960 119.800 -0.021 0.000 2.297 99 Q HA 0.259 4.597 4.340 -0.004 0.000 0.268 99 Q C -1.164 174.836 176.000 -0.000 0.000 1.045 99 Q CA -0.778 55.023 55.803 -0.004 0.000 0.861 99 Q CB 2.320 31.063 28.738 0.009 0.000 1.344 99 Q HN 0.160 8.419 8.270 -0.018 0.000 0.452 100 A N 1.739 124.571 122.820 0.020 0.000 2.317 100 A HA 0.413 4.737 4.320 0.008 0.000 0.327 100 A C -2.107 175.523 177.584 0.077 0.000 1.178 100 A CA -1.018 51.035 52.037 0.027 0.000 0.817 100 A CB 1.625 20.635 19.000 0.017 0.000 1.189 100 A HN 0.308 8.478 8.150 0.034 0.000 0.489 101 K N 1.435 121.887 120.400 0.087 0.000 2.464 101 K HA 0.899 5.482 4.320 0.201 -0.143 0.253 101 K C -0.823 175.897 176.600 0.200 0.000 0.933 101 K CA -0.815 55.553 56.287 0.135 0.000 0.801 101 K CB 4.260 36.782 32.500 0.035 0.000 1.271 101 K HN 0.180 8.463 8.250 0.056 0.000 0.430 102 F N 0.414 120.277 119.950 -0.146 0.000 2.685 102 F HA 0.336 4.809 4.527 -0.090 0.000 0.315 102 F C -3.302 172.418 175.800 -0.135 0.000 1.126 102 F CA -1.910 56.005 58.000 -0.143 0.000 0.950 102 F CB 2.129 40.973 39.000 -0.259 0.000 1.360 102 F HN 0.505 8.844 8.300 0.065 0.000 0.469 103 L N 0.490 121.563 121.223 -0.250 0.000 2.333 103 L HA 0.538 4.639 4.340 -0.641 -0.145 0.280 103 L C -1.174 175.420 176.870 -0.460 0.000 1.004 103 L CA -1.413 53.118 54.840 -0.515 0.000 0.820 103 L CB 2.942 44.707 42.059 -0.490 0.000 1.247 103 L HN 0.095 8.367 8.230 0.071 0.000 0.416 104 I N 5.750 126.036 120.570 -0.473 0.000 2.297 104 I HA 0.172 4.664 4.170 0.161 -0.226 0.291 104 I C -0.740 175.341 176.117 -0.060 0.000 1.033 104 I CA -0.650 60.599 61.300 -0.085 0.000 1.253 104 I CB 0.514 38.499 38.000 -0.025 0.000 1.396 104 I HN 0.359 8.216 8.210 -0.588 0.000 0.476 105 Y N 8.139 128.584 120.300 0.241 0.000 2.301 105 Y HA 0.249 5.113 4.550 0.297 -0.136 0.325 105 Y C -0.919 175.154 175.900 0.288 0.000 1.203 105 Y CA -0.587 57.668 58.100 0.258 0.000 1.255 105 Y CB 1.569 40.114 38.460 0.142 0.000 1.232 105 Y HN -0.012 8.595 8.280 0.546 0.000 0.501 106 A N -0.660 122.408 122.820 0.414 0.000 2.435 106 A HA 1.007 5.306 4.320 -0.393 -0.215 0.304 106 A C -1.924 175.662 177.584 0.003 0.000 1.064 106 A CA -2.264 49.798 52.037 0.041 0.000 0.727 106 A CB 3.912 23.061 19.000 0.249 0.000 1.284 106 A HN 0.709 9.152 8.150 0.488 0.000 0.415 107 Q N 1.599 121.302 119.800 -0.162 0.000 2.309 107 Q HA 0.331 4.636 4.340 -0.319 -0.156 0.254 107 Q C -2.021 173.898 176.000 -0.135 0.000 0.938 107 Q CA -0.421 55.269 55.803 -0.188 0.000 0.789 107 Q CB 4.385 33.042 28.738 -0.134 0.000 1.313 107 Q HN 0.238 8.304 8.270 -0.339 0.000 0.438 108 D N 7.453 127.775 120.400 -0.130 0.000 2.339 108 D HA 0.198 4.875 4.640 0.060 0.000 0.241 108 D C 0.300 176.579 176.300 -0.034 0.000 1.183 108 D CA -1.073 52.946 54.000 0.031 0.000 0.859 108 D CB 1.216 42.163 40.800 0.246 0.000 1.067 108 D HN 0.086 8.115 8.370 -0.398 0.102 0.484 109 K N 6.271 126.660 120.400 -0.019 0.000 2.217 109 K HA -0.155 4.139 4.320 -0.044 0.000 0.202 109 K C 1.257 177.854 176.600 -0.004 0.000 1.051 109 K CA 2.115 58.388 56.287 -0.024 0.000 0.952 109 K CB -0.207 32.284 32.500 -0.015 0.000 0.736 109 K HN 0.390 8.635 8.250 -0.008 0.000 0.453 110 E N 0.150 120.364 120.200 0.022 0.000 2.028 110 E HA -0.172 4.190 4.350 0.021 0.000 0.190 110 E C 1.056 177.674 176.600 0.030 0.000 0.984 110 E CA 2.566 58.985 56.400 0.032 0.000 0.800 110 E CB -0.007 29.726 29.700 0.055 0.000 0.758 110 E HN -0.351 8.193 8.360 0.036 -0.162 0.448 111 T N -6.705 107.877 114.554 0.048 0.000 3.144 111 T HA -0.038 4.332 4.350 0.034 0.000 0.249 111 T C -0.053 174.634 174.700 -0.022 0.000 1.089 111 T CA -0.232 61.891 62.100 0.038 0.000 0.989 111 T CB 0.462 69.394 68.868 0.107 0.000 0.992 111 T HN -0.692 7.770 8.240 0.075 -0.177 0.540 112 Q N -2.936 116.835 119.800 -0.049 0.000 2.457 112 Q HA -0.409 3.897 4.340 -0.093 -0.022 0.283 112 Q C -0.917 174.980 176.000 -0.171 0.000 1.234 112 Q CA 1.636 57.384 55.803 -0.093 0.000 0.877 112 Q CB -2.566 26.135 28.738 -0.062 0.000 1.250 112 Q HN -0.253 7.805 8.270 -0.029 0.195 0.481 113 E N -2.044 117.992 120.200 -0.274 0.000 2.281 113 E HA 0.186 4.293 4.350 -0.406 0.000 0.257 113 E C -2.114 173.957 176.600 -0.883 0.000 0.971 113 E CA -1.804 54.270 56.400 -0.542 0.000 0.839 113 E CB 4.037 33.416 29.700 -0.536 0.000 1.238 113 E HN -0.789 7.425 8.360 -0.220 0.014 0.412 114 K N -0.658 119.026 120.400 -1.194 0.000 2.562 114 K HA 0.338 4.284 4.320 -0.865 -0.145 0.267 114 K C -1.425 174.585 176.600 -0.984 0.000 0.938 114 K CA -1.184 54.537 56.287 -0.943 0.000 0.840 114 K CB 3.321 35.590 32.500 -0.384 0.000 1.390 114 K HN 0.229 7.792 8.250 -1.145 0.000 0.428 115 W N 0.957 122.295 121.300 0.063 0.000 3.040 115 W HA 0.350 5.087 4.660 0.128 0.000 0.344 115 W C -2.964 173.769 176.519 0.358 0.000 1.201 115 W CA -1.038 56.396 57.345 0.148 0.000 1.119 115 W CB 3.734 33.109 29.460 -0.141 0.000 1.478 115 W HN 0.764 8.878 8.180 0.095 0.122 0.586 116 Q N -1.929 118.277 119.800 0.677 0.000 2.280 116 Q HA 0.303 4.887 4.340 0.144 -0.158 0.259 116 Q C -1.700 174.323 176.000 0.038 0.000 0.964 116 Q CA -0.359 55.587 55.803 0.237 0.000 0.844 116 Q CB 3.587 32.353 28.738 0.047 0.000 1.334 116 Q HN 0.151 8.873 8.270 0.753 0.000 0.423 117 V N 4.772 124.461 119.914 -0.375 0.000 2.487 117 V HA 0.298 4.200 4.120 -0.364 0.000 0.298 117 V C -2.781 173.014 176.094 -0.498 0.000 1.028 117 V CA -3.013 58.961 62.300 -0.544 0.000 0.860 117 V CB 3.783 34.959 31.823 -1.079 0.000 0.991 117 V HN 0.124 8.057 8.190 -0.429 0.000 0.427 118 A N 8.813 131.387 122.820 -0.409 0.000 2.302 118 A HA 0.413 4.575 4.320 -0.482 -0.131 0.295 118 A C -1.538 175.806 177.584 -0.399 0.000 1.235 118 A CA -1.386 50.409 52.037 -0.403 0.000 0.876 118 A CB 0.745 19.586 19.000 -0.266 0.000 1.133 118 A HN 0.007 7.944 8.150 -0.357 0.000 0.533 119 V N 5.534 125.093 119.914 -0.592 0.000 2.394 119 V HA 0.417 4.667 4.120 -0.134 -0.211 0.282 119 V C -1.034 174.962 176.094 -0.163 0.000 1.031 119 V CA -1.754 60.324 62.300 -0.370 0.000 0.881 119 V CB 1.338 32.807 31.823 -0.589 0.000 0.982 119 V HN 0.098 7.733 8.190 -0.924 0.000 0.451 120 N N 7.221 125.932 118.700 0.017 0.000 2.446 120 N HA 0.370 5.261 4.740 0.086 -0.099 0.265 120 N C -0.980 174.616 175.510 0.144 0.000 0.975 120 N CA -1.389 51.706 53.050 0.075 0.000 0.928 120 N CB 1.838 40.337 38.487 0.020 0.000 1.160 120 N HN 0.822 9.113 8.380 0.031 0.108 0.495 121 L N 6.149 127.481 121.223 0.181 0.000 2.295 121 L HA 0.641 5.341 4.340 0.184 -0.250 0.288 121 L C -0.756 176.172 176.870 0.098 0.000 1.079 121 L CA -0.790 54.151 54.840 0.168 0.000 0.830 121 L CB -2.207 39.969 42.059 0.196 0.000 1.200 121 L HN 0.759 9.103 8.230 0.191 0.000 0.438 122 S N 2.831 118.579 115.700 0.080 0.000 2.638 122 S HA 0.232 4.726 4.470 0.039 0.000 0.274 122 S C -1.969 172.656 174.600 0.043 0.000 1.157 122 S CA -1.706 56.523 58.200 0.049 0.000 0.826 122 S CB 2.408 65.631 63.200 0.038 0.000 1.139 122 S HN 0.211 8.575 8.310 0.091 0.000 0.474 123 R N 1.632 122.149 120.500 0.029 0.000 2.347 123 R HA 0.041 4.400 4.340 0.032 0.000 0.304 123 R C -0.263 176.052 176.300 0.024 0.000 1.072 123 R CA 0.671 56.787 56.100 0.026 0.000 0.980 123 R CB 0.317 30.627 30.300 0.017 0.000 0.986 123 R HN 0.429 8.712 8.270 0.021 0.000 0.448 124 E N 3.789 124.005 120.200 0.027 0.000 3.170 124 E HA 0.353 4.714 4.350 0.019 0.000 0.212 124 E C -1.280 175.332 176.600 0.020 0.000 1.143 124 E CA -3.332 53.082 56.400 0.023 0.000 1.139 124 E CB 0.171 29.889 29.700 0.029 0.000 1.346 124 E HN 0.419 8.798 8.360 0.031 0.000 0.432 125 P HA 0.126 4.557 4.420 0.018 0.000 0.231 125 P C -1.018 176.289 177.300 0.012 0.000 1.756 125 P CA -0.790 62.319 63.100 0.015 0.000 0.990 125 P CB -1.476 30.231 31.700 0.013 0.000 1.973 126 T N 2.423 116.984 114.554 0.012 0.000 2.869 126 T HA 0.038 4.391 4.350 0.005 0.000 0.295 126 T C 0.773 175.478 174.700 0.009 0.000 0.987 126 T CA 0.793 62.897 62.100 0.007 0.000 1.109 126 T CB 0.808 69.679 68.868 0.004 0.000 0.932 126 T HN -0.038 8.137 8.240 0.015 0.074 0.518 127 L N 4.543 125.770 121.223 0.006 0.000 2.477 127 L HA 0.163 4.511 4.340 0.013 0.000 0.220 127 L C 0.339 177.213 176.870 0.006 0.000 1.106 127 L CA 0.153 54.998 54.840 0.009 0.000 0.851 127 L CB -0.407 41.656 42.059 0.007 0.000 0.994 127 L HN 0.231 8.463 8.230 0.004 0.000 0.462 128 T N 2.207 116.760 114.554 -0.001 0.000 2.778 128 T HA -0.227 4.118 4.350 -0.008 0.000 0.282 128 T C -0.366 174.329 174.700 -0.009 0.000 0.983 128 T CA 1.143 63.237 62.100 -0.009 0.000 1.193 128 T CB 0.412 69.269 68.868 -0.018 0.000 0.938 128 T HN -0.382 7.857 8.240 -0.002 0.000 0.523 129 E N 3.848 124.045 120.200 -0.005 0.000 2.815 129 E HA 0.192 4.546 4.350 0.007 0.000 0.211 129 E C -1.200 175.384 176.600 -0.027 0.000 1.004 129 E CA -0.211 56.192 56.400 0.004 0.000 1.173 129 E CB 0.553 30.275 29.700 0.036 0.000 1.163 129 E HN 0.160 8.518 8.360 -0.003 0.000 0.449 130 E N 0.651 120.816 120.200 -0.059 0.000 3.132 130 E HA 0.214 4.504 4.350 -0.100 0.000 0.241 130 E C -2.499 174.028 176.600 -0.122 0.000 1.196 130 E CA -2.401 53.948 56.400 -0.086 0.000 0.869 130 E CB 0.510 30.181 29.700 -0.048 0.000 1.387 130 E HN -0.306 7.954 8.360 -0.053 0.068 0.393 131 P HA 0.068 4.396 4.420 -0.153 0.000 0.271 131 P C -0.699 176.503 177.300 -0.163 0.000 1.216 131 P CA -0.019 62.961 63.100 -0.200 0.000 0.771 131 P CB 0.969 32.484 31.700 -0.308 0.000 0.864 132 M N 2.733 122.261 119.600 -0.120 0.000 2.351 132 M HA 0.045 4.475 4.480 -0.082 0.000 0.250 132 M C 0.959 177.210 176.300 -0.082 0.000 1.145 132 M CA 1.849 57.097 55.300 -0.087 0.000 1.192 132 M CB 0.517 33.079 32.600 -0.064 0.000 1.267 132 M HN 0.009 8.231 8.290 -0.113 0.000 0.467 133 K N -0.706 119.647 120.400 -0.077 0.000 3.012 133 K HA 0.105 4.397 4.320 -0.047 0.000 0.207 133 K C -1.711 174.844 176.600 -0.075 0.000 1.130 133 K CA 0.227 56.481 56.287 -0.056 0.000 1.021 133 K CB 0.707 33.189 32.500 -0.030 0.000 0.736 133 K HN -0.174 8.027 8.250 -0.080 0.000 0.448 134 E N -3.895 116.219 120.200 -0.144 0.000 3.364 134 E HA 0.302 4.453 4.350 -0.332 0.000 0.305 134 E C -2.230 174.151 176.600 -0.365 0.000 1.141 134 E CA -2.004 54.223 56.400 -0.289 0.000 1.079 134 E CB -0.310 29.255 29.700 -0.225 0.000 1.343 134 E HN -0.453 7.818 8.360 -0.149 0.000 0.391 135 P HA -0.096 4.182 4.420 -0.237 0.000 0.211 135 P C -0.776 176.430 177.300 -0.155 0.000 1.179 135 P CA 0.864 63.850 63.100 -0.191 0.000 0.910 135 P CB 0.269 31.926 31.700 -0.071 0.000 0.785 136 H N -2.746 116.331 119.070 0.012 0.000 3.034 136 H HA -0.139 4.438 4.556 0.035 0.000 0.324 136 H C -0.040 175.300 175.328 0.019 0.000 1.015 136 H CA -0.134 55.927 56.048 0.022 0.000 1.429 136 H CB 0.309 30.080 29.762 0.016 0.000 1.429 136 H HN -0.136 8.186 8.280 0.071 0.000 0.585 137 E N 2.394 122.624 120.200 0.050 0.000 3.313 137 E HA 0.036 4.418 4.350 0.053 0.000 0.164 137 E C -1.178 175.464 176.600 0.070 0.000 0.947 137 E CA -1.095 55.326 56.400 0.035 0.000 1.390 137 E CB 0.342 30.028 29.700 -0.022 0.000 1.058 137 E HN 0.013 8.428 8.360 0.092 0.000 0.436 138 I N -3.882 116.730 120.570 0.071 0.000 6.267 138 I HA -0.594 3.592 4.170 0.025 0.000 0.126 138 I C -0.992 175.155 176.117 0.051 0.000 1.812 138 I CA 1.393 62.719 61.300 0.044 0.000 2.110 138 I CB -1.607 36.418 38.000 0.041 0.000 3.441 138 I HN 0.271 8.540 8.210 0.097 0.000 0.191 139 E N -1.435 118.795 120.200 0.050 0.000 2.444 139 E HA -0.107 4.271 4.350 0.045 0.000 0.203 139 E C -0.090 176.535 176.600 0.042 0.000 0.847 139 E CA 0.418 56.846 56.400 0.045 0.000 1.142 139 E CB 1.352 31.078 29.700 0.044 0.000 1.125 139 E HN 0.011 8.384 8.360 0.055 0.020 0.521 140 E N -2.866 117.365 120.200 0.052 0.000 2.722 140 E HA -0.295 4.095 4.350 0.067 0.000 0.265 140 E C -0.455 176.172 176.600 0.045 0.000 1.081 140 E CA 1.117 57.547 56.400 0.050 0.000 0.781 140 E CB -0.929 28.789 29.700 0.029 0.000 1.372 140 E HN 0.249 8.645 8.360 0.061 0.000 0.423 141 I N -2.954 117.646 120.570 0.051 0.000 2.834 141 I HA -0.031 4.159 4.170 0.034 0.000 0.239 141 I C 0.408 176.561 176.117 0.060 0.000 1.073 141 I CA 1.338 62.664 61.300 0.045 0.000 1.459 141 I CB 0.998 39.022 38.000 0.040 0.000 1.288 141 I HN -0.190 8.020 8.210 0.056 0.033 0.455 142 V N -0.685 119.277 119.914 0.081 0.000 3.083 142 V HA -0.034 4.142 4.120 0.094 0.000 0.306 142 V C -0.269 175.958 176.094 0.222 0.000 1.077 142 V CA -0.124 62.247 62.300 0.118 0.000 1.073 142 V CB 1.015 32.900 31.823 0.102 0.000 1.081 142 V HN -0.292 7.941 8.190 0.072 0.000 0.474 143 F N 0.844 120.796 119.950 0.003 0.000 2.259 143 F HA -0.144 4.385 4.527 0.004 0.000 0.309 143 F C -2.247 173.557 175.800 0.007 0.000 1.079 143 F CA -0.801 57.202 58.000 0.004 0.000 1.099 143 F CB -0.579 38.423 39.000 0.004 0.000 1.521 143 F HN 0.188 8.623 8.300 0.225 0.000 0.783 144 P HA 0.029 4.431 4.420 -0.030 0.000 0.273 144 P C -1.269 175.951 177.300 -0.133 0.000 1.258 144 P CA -0.054 62.982 63.100 -0.107 0.000 0.802 144 P CB 0.621 32.246 31.700 -0.124 0.000 1.040 145 R N -0.596 119.865 120.500 -0.066 0.000 2.647 145 R HA 0.129 4.432 4.340 -0.062 0.000 0.295 145 R C -1.197 175.081 176.300 -0.035 0.000 1.267 145 R CA 0.210 56.288 56.100 -0.037 0.000 1.386 145 R CB 0.443 30.758 30.300 0.025 0.000 1.309 145 R HN 0.220 8.461 8.270 -0.048 0.000 0.692 146 Q N 1.635 121.400 119.800 -0.058 0.000 3.484 146 Q HA 0.209 4.534 4.340 -0.025 0.000 0.255 146 Q C -1.650 174.323 176.000 -0.045 0.000 0.909 146 Q CA 0.562 56.341 55.803 -0.040 0.000 0.774 146 Q CB 0.413 29.128 28.738 -0.038 0.000 1.431 146 Q HN -0.179 8.037 8.270 -0.091 0.000 0.423 147 L N 2.113 123.313 121.223 -0.038 0.000 2.559 147 L HA 0.199 4.521 4.340 -0.029 0.000 0.276 147 L C -1.679 175.185 176.870 -0.010 0.000 1.457 147 L CA 0.711 55.531 54.840 -0.033 0.000 0.708 147 L CB 0.396 42.419 42.059 -0.060 0.000 0.987 147 L HN -0.197 8.016 8.230 -0.029 0.000 0.518 148 A N 0.554 123.377 122.820 0.005 0.000 2.545 148 A HA 0.403 4.743 4.320 0.034 0.000 0.300 148 A C 0.036 177.644 177.584 0.041 0.000 1.252 148 A CA -0.197 51.859 52.037 0.031 0.000 0.753 148 A CB 0.485 19.508 19.000 0.038 0.000 1.144 148 A HN -0.301 7.850 8.150 0.000 0.000 0.457 149 K N 1.884 122.311 120.400 0.046 0.000 2.057 149 K HA -0.135 4.194 4.320 0.016 0.000 0.206 149 K C -0.355 176.277 176.600 0.054 0.000 1.050 149 K CA 0.516 56.826 56.287 0.037 0.000 0.935 149 K CB 0.150 32.671 32.500 0.035 0.000 0.715 149 K HN 0.236 8.512 8.250 0.043 0.000 0.439 150 H N 0.690 119.758 119.070 -0.004 0.000 3.145 150 H HA -0.072 4.483 4.556 -0.002 0.000 0.288 150 H C 0.197 175.524 175.328 -0.002 0.000 0.969 150 H CA 0.699 56.746 56.048 -0.002 0.000 1.444 150 H CB 0.546 30.308 29.762 -0.000 0.000 1.500 150 H HN 0.053 8.447 8.280 0.191 0.000 0.552 151 S N 7.191 122.674 115.700 -0.361 0.000 2.807 151 S HA 0.032 4.454 4.470 -0.079 0.000 0.247 151 S C -0.115 174.321 174.600 -0.274 0.000 1.078 151 S CA -0.351 57.727 58.200 -0.203 0.000 0.867 151 S CB 0.962 64.087 63.200 -0.124 0.000 0.797 151 S HN -0.110 7.932 8.310 -0.447 0.000 0.515 152 G N 2.060 110.625 108.800 -0.391 0.000 3.107 152 G HA2 0.228 4.104 3.960 -0.140 0.000 0.232 152 G HA3 0.228 4.093 3.960 -0.158 0.000 0.232 152 G C -2.354 172.371 174.900 -0.292 0.000 1.339 152 G CA -0.876 44.079 45.100 -0.241 0.000 1.033 152 G HN -0.426 7.603 8.290 -0.436 0.000 0.567 153 A N 0.559 123.330 122.820 -0.081 0.000 2.253 153 A HA 0.207 4.618 4.320 0.152 0.000 0.316 153 A C -0.648 176.944 177.584 0.012 0.000 1.327 153 A CA -0.667 51.390 52.037 0.033 0.000 0.917 153 A CB 0.597 19.630 19.000 0.054 0.000 1.162 153 A HN 0.071 8.187 8.150 -0.056 0.000 0.535 154 L N 2.614 123.859 121.223 0.037 0.000 2.307 154 L HA 0.213 4.555 4.340 0.003 0.000 0.284 154 L C -0.139 176.755 176.870 0.041 0.000 1.023 154 L CA -0.370 54.483 54.840 0.021 0.000 0.810 154 L CB 1.355 43.419 42.059 0.010 0.000 1.231 154 L HN 0.331 8.622 8.230 0.101 0.000 0.423 155 Q N 3.661 123.475 119.800 0.025 0.000 2.390 155 Q HA 0.135 4.493 4.340 0.030 0.000 0.249 155 Q C -0.542 175.469 176.000 0.019 0.000 0.996 155 Q CA 0.455 56.272 55.803 0.024 0.000 0.899 155 Q CB 0.408 29.156 28.738 0.017 0.000 1.216 155 Q HN 0.414 8.693 8.270 0.016 0.000 0.465 156 R N 4.003 124.517 120.500 0.022 0.000 2.508 156 R HA 0.111 4.459 4.340 0.013 0.000 0.420 156 R C -0.204 176.105 176.300 0.016 0.000 0.866 156 R CA 0.453 56.563 56.100 0.017 0.000 1.103 156 R CB 0.632 30.944 30.300 0.019 0.000 1.657 156 R HN 0.338 8.625 8.270 0.028 0.000 0.562 157 Q N -0.128 119.681 119.800 0.016 0.000 2.234 157 Q HA -0.189 4.159 4.340 0.012 0.000 0.206 157 Q C -0.144 175.862 176.000 0.009 0.000 0.980 157 Q CA 1.699 57.509 55.803 0.012 0.000 0.869 157 Q CB 0.435 29.180 28.738 0.011 0.000 0.912 157 Q HN 0.308 8.589 8.270 0.018 0.000 0.436 158 K N -4.007 116.399 120.400 0.009 0.000 2.399 158 K HA 0.268 4.591 4.320 0.006 0.000 0.260 158 K C -1.186 175.418 176.600 0.006 0.000 1.049 158 K CA -0.947 55.344 56.287 0.007 0.000 0.890 158 K CB 1.687 34.191 32.500 0.006 0.000 1.430 158 K HN -0.676 7.553 8.250 0.010 0.027 0.459 159 R N 0.000 120.503 120.500 0.005 0.000 2.786 159 R HA 0.000 4.342 4.340 0.004 0.000 0.208 159 R CA 0.000 56.103 56.100 0.004 0.000 0.921 159 R CB 0.000 30.303 30.300 0.004 0.000 0.687 159 R HN 0.000 8.273 8.270 0.005 0.000 0.535